3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one

C16H25N3O2 — CID 97115570

IUPAC3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C16H25N3O2/c1-2-14-17-7-10-18(14)9-4-15(20)19-8-3-5-16(12-19)6-11-21-13-16/h7,10H,2-6,8-9,11-13H2,1H3/t16-/m0/s1
InChIKeySYTMIONJESNPHE-INIZCTEOSA-N
MW291.39 g/mol
LogP1.86
Rot. Bonds4

About 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one (PubChem CID 97115570) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
PubChem CID97115570
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C16H25N3O2/c1-2-14-17-7-10-18(14)9-4-15(20)19-8-3-5-16(12-19)6-11-21-13-16/h7,10H,2-6,8-9,11-13H2,1H3/t16-/m0/s1
InChIKeySYTMIONJESNPHE-INIZCTEOSA-N
XLogP1.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one
CID 56760278
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72862931
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-(2-ethylimidazol-1-yl)ethanone
CID 56746292
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)propan-1-one
CID 118767642
(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97129702
8-[2-(2-ethylimidazol-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745324
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one (CID 97115570) is 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCC[C@]2(CCOC2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The InChIKey is SYTMIONJESNPHE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-14-17-7-10-18(14)9-4-15(20)19-8-3-5-16(12-19)6-11-21-13-16/h7,10H,2-6,8-9,11-13H2,1H3/t16-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one is sourced from PubChem (CID 97115570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).